3-chloranyl-N'-(3-pyridin-3-ylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide

Systemtic Name: 3-chloranyl-N'-(3-pyridin-3-ylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Openeye Name: 3-chloro-N'-[3-(3-pyridyl)propanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide CAS Name: 3-chloro-N'-[1-oxo-3-(3-pyridinyl)propyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide IUPAC Name: 3-chloro-N'-(3-pyridin-3-ylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Traditional Name: 3-chloro-N'-[3-(3-pyridyl)propanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCC4=CN=CC=C4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCC4=CN=CC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C22H19ClN4O3/c23-17-8-9-20-18(12-17)27(14-16-5-1-2-6-19(16)30-20)22(29)26-25-21(28)10-7-15-4-3-11-24-13-15/h1-6,8-9,11-13H,7,10,14H2,(H,25,28)(H,26,29)